NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundsanggenon C
NPACT-IdNPACT01312
IUPAC-
Synonyms2-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
PubChem Id442458
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXETHJOZXBVWLLM-QAHMVTMMSA-N
InChi1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m1/s
SMILESO1C2(C(Oc3c2ccc(O)c3)(O)C(=O)c2c1cc(O)c([C@@H]1[C@@H]([C@H](CC(=C1)C)c1c(O)cc(O)cc1)C(=O)c1c(O)cc(O)cc1)c2O)CC=C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1(OC3=C([H])C(O[H])=C(C(O[H])=C3C(=O)[C@@]1(O[H])O2)[C@@]1([H])C([H])=C(C([H])([H])[H])C([H])([H])[C@]([H])(C2=C(O[H])C([H])=C(O[H])C([H])=C2[H])[C@@]1([H])C(=O)C1=C(O[H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H]
CAS No.80651-76-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C477157
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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